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- W1980962561 abstract "A Monte Carlo exchange technique is used to study segregation in thin ceramic films with application to MgO/MnO. The approach is not restricted to the dilute limit. Surface concentrations as a function of temperature and film composition are determined directly from the simulations. For all compositions studied (MnχMg1−χO, 0 ≤ χ ≤ 1) the (001) surface is Mn2+ rich; the occupancy of sites by Mn2+ decreases rapidly with depth. The ratio of the number of Mn2+ to Mg2+ ions at the surface decreases as a function of temperature. The calculated enthalpies of segregation of Mn2+ for the thin film are strongly dependent on the total Mn2+ concentration at small Mn2+ concentrations, with the enthalpy of segregation varying by a factor of two with surface coverage." @default.
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- W1980962561 date "2005-01-01" @default.
- W1980962561 modified "2023-09-26" @default.
- W1980962561 title "Monte Carlo simulation of segregation in ceramic thin films" @default.
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- W1980962561 doi "https://doi.org/10.1039/b506271c" @default.
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